4JEN
Structure of Clostridium botulinum CMP N-glycosidase, BcmB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.948, 104.006, 40.225 |
| Unit cell angles | 90.00, 97.98, 90.00 |
Refinement procedure
| Resolution | 34.542 - 3.000 |
| R-factor | 0.2352 |
| Rwork | 0.234 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jel |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.542 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 8.130 | 3.000 |
| Rmerge | 0.101 | 0.069 | 0.333 |
| Number of reflections | 14604 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 99.9 | 99.2 | 99.7 |
| Redundancy | 3.7 | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 291 | 18% PEG MME 2000, 0.1 M phosphate-citrate, 0.01 M spermine, 0.2 M ammonium sulfate, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
